Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 1/20 | 0.38 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.34 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.33 |
| ▸ | P4HA1 | P13674 | 1/20 | 0.31 |
| ▸ | MIF | P14174 | 1/20 | 0.31 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.31 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.31 |
| ▸ | TPMT | P51580 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29878417 | 0.82 | TTR (0.54) | TTRNAPRTP4HA1MIFP4HTM | |
| SCHEMBL1505622 | 0.82 | TTR (0.54) | TTRNAPRTP4HA1MIFP4HTM | |
| SCHEMBL9195951 | 0.80 | CA5A (0.40) | TTRP4HA1MIFP4HTMHDAC1 | |
| SCHEMBL1809522 | 0.80 | NAPRT (0.38) | NAPRTGRM4ALDH1A1 | |
| SCHEMBL10386997 | 0.78 | HTT (0.50) | TTRNAPRTGRM4CSNK2A1HDAC1 | |
| SCHEMBL28445897 | 0.78 | HDAC1 (0.34) | TTRNAPRTGRM4CSNK2A1HDAC1 | |
| SCHEMBL2922164 | 0.78 | NAPRT (0.39) | TTRNAPRTHCAR2HDAC1HDAC6 | |
| SCHEMBL9193763 | 0.76 | MEN1 (0.36) | TTRKDM4EALDH1A1 | |
| SCHEMBL197929 | 0.76 | MAPK1 (0.51) | POLBKDM4EALDH1A1TPMT | |
| SCHEMBL1232110 | 0.75 | CYP2C19 (0.51) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4990620-A | Halogen substituted pyridylalkyl ketones | BAYER AKTIENGESELLSCHAFT (DE) | 1991-02-05 | — | — | US | disclosed |
| US-4927938-A | Halogen substituted pyridylalkyl ketones | BAYER AKTIENGESELLSCHAFT (DE) | 1990-05-22 | — | — | US | disclosed |